10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine

C64H43N5 — CID 137208895

IUPAC10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6c5-c5ncccc5NC6)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C64H43N5/c1-3-16-42(17-4-1)61-67-62(43-18-5-2-6-19-43)69-63(68-61)47-37-45(40-31-33-41(34-32-40)48-24-13-20-44-39-66-57-30-15-35-65-60(57)58(44)48)36-46(38-47)49-25-14-29-56-59(49)52-23-9-12-28-55(52)64(56)53-26-10-7-21-50(53)51-22-8-11-27-54(51)64/h1-38,63,66H,39H2,(H,67,68,69)
InChIKeyGRSJSZMASVLOBX-UHFFFAOYSA-N
MW882.08 g/mol
LogP14.51
Rot. Bonds6

About 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine

10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine (PubChem CID 137208895) has the molecular formula C64H43N5 and a molecular weight of 882.08 g/mol. Its IUPAC name is 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine.

Molecular Properties

Compound Name10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine
PubChem CID137208895
Molecular FormulaC64H43N5
Molecular Weight882.08 g/mol
Exact Mass881.35
IUPAC Name10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6c5-c5ncccc5NC6)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C64H43N5/c1-3-16-42(17-4-1)61-67-62(43-18-5-2-6-19-43)69-63(68-61)47-37-45(40-31-33-41(34-32-40)48-24-13-20-44-39-66-57-30-15-35-65-60(57)58(44)48)36-46(38-47)49-25-14-29-56-59(49)52-23-9-12-28-55(52)64(56)53-26-10-7-21-50(53)51-22-8-11-27-54(51)64/h1-38,63,66H,39H2,(H,67,68,69)
InChIKeyGRSJSZMASVLOBX-UHFFFAOYSA-N
XLogP14.51
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.08
LogP ≤ 514.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine with MolForge

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Related Compounds

4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
5-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 137208883
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
2-[3-[3-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazine
CID 174300049
2-naphthalen-2-yl-4-phenyl-6-[4-[3-[4-(4-phenyl-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine
CID 155442662
6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 136999350
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
CID 146322030
5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 129201152

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine?
The IUPAC name of 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine (CID 137208895) is 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine.
What is the SMILES notation for 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine?
The canonical SMILES for 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine is c1ccc(C2=NC(c3cc(-c4ccc(-c5cccc6c5-c5ncccc5NC6)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine?
The InChIKey is GRSJSZMASVLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5/c1-3-16-42(17-4-1)61-67-62(43-18-5-2-6-19-43)69-63(68-61)47-37-45(40-31-33-41(34-32-40)48-24-13-20-44-39-66-57-30-15-35-65-60(57)58(44)48)36-46(38-47)49-25-14-29-56-59(49)52-23-9-12-28-55(52)64(56)53-26-10-7-21-50(53)51-22-8-11-27-54(51)64/h1-38,63,66H,39H2,(H,67,68,69).
What are the key properties of 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine?
10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine has a molecular weight of 882.08 g/mol, XLogP of 14.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-5,6-dihydrobenzo[c][1,5]naphthyridine is sourced from PubChem (CID 137208895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).